(2S)-2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: (2S)-2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-(4-chloro-3,5-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C20H24ClN3O2 MolecularWeight: 373.87646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)O[C@@H](C)C(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C20H24ClN3O2/c1-14-12-17(13-15(2)19(14)21)26-16(3)20(25)24-10-8-23(9-11-24)18-6-4-5-7-22-18/h4-7,12-13,16H,8-11H2,1-3H3/t16-/m0/s1